1-[2-(2-methylprop-2-enoxy)ethyl]-5-(3-methylpyrrolidin-3-yl)imidazole

C14H23N3O — CID 114722631

IUPAC1-[2-(2-methylprop-2-enoxy)ethyl]-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESC=C(C)COCCn1cncc1C1(C)CCNC1
InChIInChI=1S/C14H23N3O/c1-12(2)9-18-7-6-17-11-16-8-13(17)14(3)4-5-15-10-14/h8,11,15H,1,4-7,9-10H2,2-3H3
InChIKeyJCHLMNFPAMPTPA-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.73
Rot. Bonds6

About 1-[2-(2-methylprop-2-enoxy)ethyl]-5-(3-methylpyrrolidin-3-yl)imidazole

1-[2-(2-methylprop-2-enoxy)ethyl]-5-(3-methylpyrrolidin-3-yl)imidazole (PubChem CID 114722631) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[2-(2-methylprop-2-enoxy)ethyl]-5-(3-methylpyrrolidin-3-yl)imidazole.

Molecular Properties

Compound Name1-[2-(2-methylprop-2-enoxy)ethyl]-5-(3-methylpyrrolidin-3-yl)imidazole
PubChem CID114722631
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[2-(2-methylprop-2-enoxy)ethyl]-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESC=C(C)COCCn1cncc1C1(C)CCNC1
InChIInChI=1S/C14H23N3O/c1-12(2)9-18-7-6-17-11-16-8-13(17)14(3)4-5-15-10-14/h8,11,15H,1,4-7,9-10H2,2-3H3
InChIKeyJCHLMNFPAMPTPA-UHFFFAOYSA-N
XLogP1.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylprop-2-enoxy)ethyl]-5-(3-methylpyrrolidin-3-yl)imidazole?
The IUPAC name of 1-[2-(2-methylprop-2-enoxy)ethyl]-5-(3-methylpyrrolidin-3-yl)imidazole (CID 114722631) is 1-[2-(2-methylprop-2-enoxy)ethyl]-5-(3-methylpyrrolidin-3-yl)imidazole.
What is the SMILES notation for 1-[2-(2-methylprop-2-enoxy)ethyl]-5-(3-methylpyrrolidin-3-yl)imidazole?
The canonical SMILES for 1-[2-(2-methylprop-2-enoxy)ethyl]-5-(3-methylpyrrolidin-3-yl)imidazole is C=C(C)COCCn1cncc1C1(C)CCNC1.
What is the InChIKey of 1-[2-(2-methylprop-2-enoxy)ethyl]-5-(3-methylpyrrolidin-3-yl)imidazole?
The InChIKey is JCHLMNFPAMPTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12(2)9-18-7-6-17-11-16-8-13(17)14(3)4-5-15-10-14/h8,11,15H,1,4-7,9-10H2,2-3H3.
What are the key properties of 1-[2-(2-methylprop-2-enoxy)ethyl]-5-(3-methylpyrrolidin-3-yl)imidazole?
1-[2-(2-methylprop-2-enoxy)ethyl]-5-(3-methylpyrrolidin-3-yl)imidazole has a molecular weight of 249.36 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylprop-2-enoxy)ethyl]-5-(3-methylpyrrolidin-3-yl)imidazole is sourced from PubChem (CID 114722631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).